| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:03 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231094 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H10NO4+ |
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| Molecular Mass | 148.0604 |
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| SMILES | CCOC(=O)C(C)[N+](=O)O |
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| InChI Key | AYVIOGIVPMJEFH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha-amino acid esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundc-nitro compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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